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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclin-T1' and Ligand = 'BDBM126515'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-T1


(Homo sapiens (Human))
BDBM126515
PNG
(US8778951, 326)
Show SMILES CS(=O)(=O)CCN[C@H]1CC[C@@H](CC1)Nc1cc(c(Cl)cn1)-c1ccc(F)c(NCC2CCOCC2)n1 |r,wU:10.13,wD:7.6,(8,3.46,;6.67,2.69,;5.9,4.03,;7.44,1.36,;5.33,1.93,;4,2.69,;2.67,1.93,;1.33,2.69,;1.33,4.23,;,5,;-1.33,4.23,;-1.33,2.69,;,1.93,;-2.67,5,;-4,4.23,;-4,2.69,;-5.33,1.93,;-6.67,2.69,;-8,1.93,;-6.67,4.23,;-5.33,5,;-5.33,.38,;-6.67,-.38,;-6.67,-1.93,;-5.33,-2.69,;-5.33,-4.23,;-4,-1.93,;-2.67,-2.69,;-1.33,-1.93,;,-2.69,;,-4.23,;1.33,-5,;2.67,-4.23,;2.67,-2.69,;1.33,-1.92,;-4,-.38,)|
Show InChI InChI=1S/C25H35ClFN5O3S/c1-36(33,34)13-10-28-18-2-4-19(5-3-18)31-24-14-20(21(26)16-29-24)23-7-6-22(27)25(32-23)30-15-17-8-11-35-12-9-17/h6-7,14,16-19,28H,2-5,8-13,15H2,1H3,(H,29,31)(H,30,32)/t18-,19-
PDB
MMDB

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Similars

US Patent
n/an/a 0.000490n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Cdk9/cyclinT1 is purchased from Millipore, cat #14-685. The final total protein concentration in the assay 4 nM. The 5TAMRA-cdk7tide peptide substrat...


US Patent US8778951 (2014)


BindingDB Entry DOI: 10.7270/Q25B014T
More data for this
Ligand-Target Pair